ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

C25H33N5 — CID 142198972

IUPACethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCC.CC.CCc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(C)cc3)nc2c1
InChIInChI=1S/C21H21N5.2C2H6/c1-4-15-10-12-26-18(13-15)25-19(16-7-5-14(2)6-8-16)20(26)17-9-11-23-21(22-3)24-17;2*1-2/h5-13H,4H2,1-3H3,(H,22,23,24);2*1-2H3
InChIKeyBUIRGEBDLWXBBE-UHFFFAOYSA-N
MW403.57 g/mol
LogP6.42
Rot. Bonds4

About ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine

ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (PubChem CID 142198972) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
PubChem CID142198972
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Nameethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
SMILESCC.CC.CCc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(C)cc3)nc2c1
InChIInChI=1S/C21H21N5.2C2H6/c1-4-15-10-12-26-18(13-15)25-19(16-7-5-14(2)6-8-16)20(26)17-9-11-23-21(22-3)24-17;2*1-2/h5-13H,4H2,1-3H3,(H,22,23,24);2*1-2H3
InChIKeyBUIRGEBDLWXBBE-UHFFFAOYSA-N
XLogP6.42
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 142198980
7-ethyl-2-(4-methylphenyl)-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 142198770
ethane;N-ethyl-4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;propanal
CID 142199280
4-[2-(4-fluorophenyl)-7-[[methyl(propyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824614
[2-(4-ethylphenyl)-3-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
CID 142198950
ethane;1-[3-(2-ethylpyrimidin-4-yl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylmethanamine
CID 142198717
4-[7-[(cyclopropylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine
CID 58824293
2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
CID 58824357
4-[7-(aminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(2,4-difluorophenyl)methyl]pyrimidin-2-amine
CID 142199324
[3-[2-(butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824295
4-[7-[(dimethylamino)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidine-2-carboxamide
CID 142199413
[3-[2-(tert-butylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824339

Frequently Asked Questions

What is the IUPAC name of ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine (CID 142198972) is ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is CC.CC.CCc1ccn2c(-c3ccnc(NC)n3)c(-c3ccc(C)cc3)nc2c1.
What is the InChIKey of ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
The InChIKey is BUIRGEBDLWXBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5.2C2H6/c1-4-15-10-12-26-18(13-15)25-19(16-7-5-14(2)6-8-16)20(26)17-9-11-23-21(22-3)24-17;2*1-2/h5-13H,4H2,1-3H3,(H,22,23,24);2*1-2H3.
What are the key properties of ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine?
ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine has a molecular weight of 403.57 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[7-ethyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 142198972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).